General Information of the Compound
| Compound ID |
CP0854272
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| Compound Name |
(S)-5-Benzyl-3-(3-dimethylamino-propyl)-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-thioxo-imidazolidin-4-one
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| Structure |
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| Formula |
C29H31N7OS
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| Molecular Weight |
525.682
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| Canonical SMILES |
CN(C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S
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| InChI |
InChI=1S/C29H31N7OS/c1-34(2)17-8-18-35-28(37)26(19-21-9-4-3-5-10-21)36(29(35)38)20-22-13-15-23(16-14-22)24-11-6-7-12-25(24)27-30-32-33-31-27/h3-7,9-16,26H,8,17-20H2,1-2H3,(H,30,31,32,33)/t26-/m0/s1
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| InChIKey |
RSZWMKSWYWFHMX-SANMLTNESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound